N-(5-methyl-2-pyridinyl)-N',N'-dipropyloxamide

C14H21N3O2 — CID 108528764

IUPACN-(5-methyl-2-pyridinyl)-N',N'-dipropyloxamide
SMILESCCCN(CCC)C(=O)C(=O)Nc1ccc(C)cn1
InChIInChI=1S/C14H21N3O2/c1-4-8-17(9-5-2)14(19)13(18)16-12-7-6-11(3)10-15-12/h6-7,10H,4-5,8-9H2,1-3H3,(H,15,16,18)
InChIKeyAXACHDQQPARNJF-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.98
Rot. Bonds5

About N-(5-methyl-2-pyridinyl)-N',N'-dipropyloxamide

N-(5-methyl-2-pyridinyl)-N',N'-dipropyloxamide (PubChem CID 108528764) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-N',N'-dipropyloxamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-N',N'-dipropyloxamide
PubChem CID108528764
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(5-methyl-2-pyridinyl)-N',N'-dipropyloxamide
SMILESCCCN(CCC)C(=O)C(=O)Nc1ccc(C)cn1
InChIInChI=1S/C14H21N3O2/c1-4-8-17(9-5-2)14(19)13(18)16-12-7-6-11(3)10-15-12/h6-7,10H,4-5,8-9H2,1-3H3,(H,15,16,18)
InChIKeyAXACHDQQPARNJF-UHFFFAOYSA-N
XLogP1.98
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-ethyl-N'-(2-hydroxyethyl)-N-(5-methyl-2-pyridinyl)oxamide
CID 108525220
N',N'-dipropyl-N-pyridin-2-yloxamide
CID 108525916
N'-(5-methyl-2-pyridinyl)oxamide
CID 23087857
N-(2,5-dimethylphenyl)-N',N'-dipropyloxamide
CID 108528705
N-(5-methyl-2-pyridinyl)hexanamide
CID 5105013
N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]butanamide
CID 47293166
N-(5-methyl-2-pyridinyl)-2-sulfanylacetamide
CID 83773687
N'-(2-methylphenyl)-N-(5-methyl-2-pyridinyl)oxamide
CID 44997230
1-hexyl-3-(5-methyl-2-pyridinyl)urea
CID 158285971
1-[(E)-2-methylbut-1-enyl]-3-(5-methyl-2-pyridinyl)urea
CID 108914523
2-[(5-methyl-2-pyridinyl)amino]prop-2-enal
CID 144725404
N-(2-amino-4-methylphenyl)-N'-butyl-N'-propyloxamide
CID 108521655

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-N',N'-dipropyloxamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-N',N'-dipropyloxamide (CID 108528764) is N-(5-methyl-2-pyridinyl)-N',N'-dipropyloxamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-N',N'-dipropyloxamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-N',N'-dipropyloxamide is CCCN(CCC)C(=O)C(=O)Nc1ccc(C)cn1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-N',N'-dipropyloxamide?
The InChIKey is AXACHDQQPARNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-8-17(9-5-2)14(19)13(18)16-12-7-6-11(3)10-15-12/h6-7,10H,4-5,8-9H2,1-3H3,(H,15,16,18).
What are the key properties of N-(5-methyl-2-pyridinyl)-N',N'-dipropyloxamide?
N-(5-methyl-2-pyridinyl)-N',N'-dipropyloxamide has a molecular weight of 263.34 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-N',N'-dipropyloxamide is sourced from PubChem (CID 108528764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).